1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(5-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Formula: C15H15ClFN4O4S+ MolecularWeight: 401.820403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H14ClFN4O4S/c16-13-9-12(2-3-14(13)17)26(24,25)20-7-5-19(6-8-20)15-4-1-11(10-18-15)21(22)23/h1-4,9-10H,5-8H2/p+1